2-(3-oxidanylidene-1,2-oxazol-5-yl)-2-[(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-(3-oxidanylidene-1,2-oxazol-5-yl)-2-[(phenylmethyl)amino]ethanoic acid Openeye Name: 2-(benzylamino)-2-(3-oxoisoxazol-5-yl)acetic acid CAS Name: 2-(3-oxo-5-isoxazolyl)-2-[(phenylmethyl)amino]acetic acid IUPAC Name: 2-(benzylamino)-2-(3-oxo-1,2-oxazol-5-yl)acetic acid Traditional Name: 2-(benzylamino)-2-(3-keto-4-isoxazolin-5-yl)acetic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(C2=CC(=O)NO2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(C2=CC(=O)NO2)C(=O)O

InChI

InChI=1S/C12H12N2O4/c15-10-6-9(18-14-10)11(12(16)17)13-7-8-4-2-1-3-5-8/h1-6,11,13H,7H2,(H,14,15)(H,16,17)